Hi Ross,
for me it works perfect - see the attached table.
Many thanks to all involved Amber/Nvidia developers !
Best wishes,
Marek
Dne Tue, 06 Aug 2013 02:01:26 +0200 Ross Walker <ross.rosswalker.co.uk>
napsal/-a:
> Dear All,
>
> NVIDIA has just released an updated driver that is designed to address
> the
> issues seen with GTX-Titan and GTX-780 cards. This has been tested
> extensively in house but has yet to be fully tested publicly. I would
> encourage those of you with GTX-Titan and GTX-780 cards to try installing
> this driver and see if it addresses the issues you have been seeing with
> those cards. I'd be interested in your feedback and also reports of
> performance.
>
> The driver is here:
>
> http://www.nvidia.com/object/linux-display-amd64-325.15-driver.html
>
> I recommend using the CUDA 5.0 toolkit. A patch for CUDA 5.5 with AMBER
> 12
> will be coming shortly.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Associate Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Associate Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may
> not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
>
>
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> __________ Informace od ESET NOD32 Antivirus, verze databaze 8653
> (20130805) __________
>
> Tuto zpravu proveril ESET NOD32 Antivirus.
>
> http://www.eset.cz
>
>
>
--
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
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TITANES - ns/day
GPU_0 JAC_NVE JAC_NPT FACTOR_IX_NVE FACTOR_IX_NPT CELLULOSE_NVE CELLULOSE_NPT TRPCAGE MYOGLOBIN NUCLEOSOME
ROUND_1 114.97 84.49 29.77 24.12 7.05 5.86 627.59 212.48 3.26
ROUND_2 106.05 82.76 29.65 24.03 7.02 5.76 633.31 196.11 3.26
GPU_1
ROUND_1 115.60 85.63 29.92 24.18 7.07 5.80 606.06 197.11 3.30
ROUND_2 107.04 83.52 29.66 24.09 7.05 5.78 613.37 195.67 3.30
Total energy at step 100000
*TITAN_0 JAC_NVE JAC_NPT FACTOR_IX_NVE FACTOR_IX_NPT CELLULOSE_NVE CELLULOSE_NPT TRPCAGE MYOGLOBIN NUCLEOSOME
ROUND_1 -58139.8792 -58219.2564 -234189.5802 -234493.4304 -443246.3206 -440947.3717 -238.0523 -1429.6137 -66858.7444
ROUND_2 -58139.8792 -58219.2564 -234189.5802 -234493.4304 -443246.3206 -440947.3717 -238.0523 -1429.6137 -66858.7444
*TITAN_1
ROUND_1 -58139.8792 -58219.2564 -234189.5802 -234493.4304 -443246.3206 -440947.3717 -238.0523 -1429.6137 -66858.7444
ROUND_2 -58139.8792 -58219.2564 -234189.5802 -234493.4304 -443246.3206 -440947.3717 -238.0523 -1429.6137 -66858.7444
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Received on Wed Aug 14 2013 - 16:00:03 PDT
